SCHEMBL1259909

SCHEMBL1259909

CC(C)(C)OC(=O)CCC(O)C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2D6 P10635 1/20 0.35
CTSK P43235 9/20 0.35
CTSS P25774 8/20 0.35
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
APLNR P35414 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25907975 0.81 CYP2D6 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25907972 0.80 CTSK (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8166377 0.79 TSHR (0.48) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL25228006 0.78 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28632400 0.76 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27475233 0.76 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28634513 0.76 CYP2D6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16077490 0.76 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL321317 0.75 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6000874 0.74 CA1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066788-B1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS INC (US) 2014-07-23 EP disclosed
US-8617864-B2 Polynucleotides encoding ketoreductases for producing stereoisomerically pure statins and synthetic intermediates therefor CODEXIS, INC. (US) 2013-12-31 US disclosed
US-20130040364-A1 POLYNUCLEOTIDES ENCODING KETOREDUCTASES FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2013-02-14 US disclosed
US-8273547-B2 Engineered ketoreductases and methods for producing stereoisomerically pure statins CODEXIS, INC. (US) 2012-09-25 US disclosed
US-20110195465-A1 Compositions and Methods for Producing Stereoisomerically Pure Statins and Synthetic Intermediates Therefor CODEXIS, INC. (US) 2011-08-11 US disclosed
US-7879585-B2 Ketoreductases of Saccharomyces cerevisiae; host cells CODEXIS, INC. (US) 2011-02-01 US disclosed
EP-2066788-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR Codexis, Inc. (US) 2009-06-10 EP disclosed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 US disclosed
WO-2008042876-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR HDAC3 3297/4885HDAC1 1953/4885HDAC2 3280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.